在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 7 Reference Ions Near m/z 824.4959
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043364 Reliable 824.4993 824.499 ~ 824.4999
MzDiff: 3.4 ppm
PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000206182)
Formula: C44H74NO11P (823.4999)
9.4 (53%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047086 Unreliable 824.4959 824.4959 ~ 824.4959
MzDiff: none
N-Formyl-nle-leu-phe-nle-tyr-lys (BioDeep_00000175148)
Formula: C43H65N7O9 (823.4844)
2.85 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047112 Unreliable 824.4893 824.4893 ~ 824.4893
MzDiff: none
Not Annotated 2.78 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047142 Unreliable 824.505 824.505 ~ 824.505
MzDiff: none
PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000206182)
Formula: C44H74NO11P (823.4999)
2.71 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052064 Unreliable 824.4875 824.4875 ~ 824.4875
MzDiff: none
Acetyldigitoxin (BioDeep_00000000723)
Formula: C43H66O14 (806.4452)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052165 Unreliable 824.5015 824.5015 ~ 824.5015
MzDiff: none
PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000206182)
Formula: C44H74NO11P (823.4999)
2.29 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065402 Unreliable 824.4976 824.4975 ~ 824.4977
MzDiff: 1.0 ppm
Azaspiracid (BioDeep_00000024395)
Formula: C47H71NO12 (841.4976)
2.25 (100%) Homo sapiens
[UBERON:0001155] colon

Found 17 Sample Hits
Metabolite Species Sample
Azaspiracid

Formula: C47H71NO12 (841.4976)
Adducts: [M+H-H2O]+ (Ppm: 5.9)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

N-Formyl-nle-leu-phe-nle-tyr-lys

Formula: C43H65N7O9 (823.4844)
Adducts: [M+H]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PG(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H71O11P (806.4734)
Adducts: [M+NH4]+ (Ppm: 8.9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

N-Formyl-nle-leu-phe-nle-tyr-lys

Formula: C43H65N7O9 (823.4844)
Adducts: [M+H]+ (Ppm: 5.2)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Acetyldigitoxin

Formula: C43H66O14 (806.4452)
Adducts: [M+NH4]+ (Ppm: 18.7)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H74NO11P (823.4999)
Adducts: [M+H]+ (Ppm: 9.6)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Azaspiracid

Formula: C47H71NO12 (841.4976)
Adducts: [M+H-H2O]+ (Ppm: 4.7)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

Azaspiracid

Formula: C47H71NO12 (841.4976)
Adducts: [M+H-H2O]+ (Ppm: 5.7)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H74NO11P (823.4999)
Adducts: [M+H]+ (Ppm: 9.3)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H74NO11P (823.4999)
Adducts: [M+H]+ (Ppm: 10.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H74NO11P (823.4999)
Adducts: [M+H]+ (Ppm: 9.8)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H74NO11P (823.4999)
Adducts: [M+H]+ (Ppm: 9.7)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H74NO11P (823.4999)
Adducts: [M+H]+ (Ppm: 10.2)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Azaspiracid

Formula: C47H71NO12 (841.4976)
Adducts: [M+H-H2O]+ (Ppm: 3.9)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Azaspiracid

Formula: C47H71NO12 (841.4976)
Adducts: [M+H-H2O]+ (Ppm: 4.8)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Azaspiracid

Formula: C47H71NO12 (841.4976)
Adducts: [M+H-H2O]+ (Ppm: 4.1)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

Azaspiracid

Formula: C47H71NO12 (841.4976)
Adducts: [M+H-H2O]+ (Ppm: 4.7)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description